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Designing a neural network architecture for molecular representation is crucial for AI-driven drug discovery and molecule design. In this work, we propose a new framework for molecular representation learning. Our contribution is threefold:…

Machine Learning · Computer Science 2022-10-18 Jiye Kim , Seungbeom Lee , Dongwoo Kim , Sungsoo Ahn , Jaesik Park

In this paper, a framework for testing Deep Neural Network (DNN) design in Python is presented. First, big data, machine learning (ML), and Artificial Neural Networks (ANNs) are discussed to familiarize the reader with the importance of…

Machine Learning · Computer Science 2015-10-27 Clay McLeod

We introduce a deep multitask architecture to integrate multityped representations of multimodal objects. This multitype exposition is less abstract than the multimodal characterization, but more machine-friendly, and thus is more precise…

Machine Learning · Statistics 2016-03-07 Truyen Tran , Dinh Phung , Svetha Venkatesh

Topic modeling is a useful tool for analyzing large corpora of written documents, particularly academic papers. Despite a wide variety of proposed topic modeling techniques, these techniques do not perform well when applied to medical…

Machine Learning · Computer Science 2025-10-16 Martin Licht , Sara Ketabi , Farzad Khalvati

Many networking tasks now employ deep learning (DL) to solve complex prediction and optimization problems. However, current design philosophy of DL-based algorithms entails intensive engineering overhead due to the manual design of deep…

Networking and Internet Architecture · Computer Science 2024-08-07 Duo Wu , Xianda Wang , Yaqi Qiao , Zhi Wang , Junchen Jiang , Shuguang Cui , Fangxin Wang

Pretrained transformer-based Language Models (LMs) are well-known for their ability to achieve significant improvement on text classification tasks with their powerful word embeddings, but their black-box nature, which leads to a lack of…

Computation and Language · Computer Science 2024-12-23 Ximing Wen , Wenjuan Tan , Rosina O. Weber

Recent advances in Large Reasoning Models (LRMs) trained with Long Chain-of-Thought (Long CoT) reasoning have demonstrated remarkable cross-domain generalization capabilities. However, the underlying mechanisms supporting such transfer…

Computation and Language · Computer Science 2025-06-19 Feng He , Zijun Chen , Xinnian Liang , Tingting Ma , Yunqi Qiu , Shuangzhi Wu , Junchi Yan

Neural Module Networks (NMN) are a compelling method for visual question answering, enabling the translation of a question into a program consisting of a series of reasoning sub-tasks that are sequentially executed on the image to produce…

Computation and Language · Computer Science 2023-10-25 Wafa Aissa , Marin Ferecatu , Michel Crucianu

Prototype-based neural networks offer interpretable predictions by comparing inputs to learned, representative signal patterns anchored in training data. While such models have shown promise in the classification of physiological data, it…

Machine Learning · Computer Science 2026-05-28 Sahil Sethi , David Chen , Michael C. Burkhart , Nipun Bhandari , Bashar Ramadan , Brett Beaulieu-Jones

Vision-language models are integral to computer vision research, yet many high-performing models remain closed-source, obscuring their data, design and training recipe. The research community has responded by using distillation from…

In this paper, we present a visual analytics tool for enabling hypothesis-based evaluation of machine learning (ML) models. We describe a novel ML-testing framework that combines the traditional statistical hypothesis testing (commonly used…

Human-Computer Interaction · Computer Science 2020-08-28 Qianwen Wang , William Alexander , Jack Pegg , Huamin Qu , Min Chen

The performance of Visio-Language Transformers drops sharply when an input modality (e.g., image) is missing, because the model is forced to make predictions using incomplete information. Existing missing-aware prompt methods help reduce…

Machine Learning · Computer Science 2025-11-18 Jueqing Lu , Yuanyuan Qi , Xiaohao Yang , Shuaicheng Niu , Fucai Ke , Shujie Zhou , Wei Tan , Jionghao Lin , Wray Buntine , Hamid Rezatofighi , Lan Du

This paper proposes a novel Deep Positive-Negative Prototype (DPNP) model that combines prototype-based learning (PbL) with discriminative methods to improve class compactness and separability in deep neural networks. While PbL…

Machine Learning · Computer Science 2025-01-07 Ramin Zarei-Sabzevar , Ahad Harati

Prompt learning is an effective method to customize Vision-Language Models (VLMs) for various downstream tasks, involving tuning very few parameters of input prompt tokens. Recently, prompt pretraining in large-scale dataset (e.g.,…

Computer Vision and Pattern Recognition · Computer Science 2024-09-11 Zhenyuan Chen , Lingfeng Yang , Shuo Chen , Zhaowei Chen , Jiajun Liang , Xiang Li

Machine learning libraries such as TensorFlow and PyTorch simplify model implementation. However, researchers are still required to perform a non-trivial amount of manual tasks such as GPU allocation, training status tracking, and…

The proposed framework named IDEAL (Interpretable-by-design DEep learning ALgorithms) recasts the standard supervised classification problem into a function of similarity to a set of prototypes derived from the training data, while taking…

Machine Learning · Computer Science 2023-11-21 Plamen Angelov , Dmitry Kangin , Ziyang Zhang

Deep Neural Network(DNN) techniques have been prevalent in software engineering. They are employed to faciliatate various software engineering tasks and embedded into many software applications. However, analyzing and understanding their…

Software Engineering · Computer Science 2019-06-04 Xufan Zhang , Ziyue Yin , Yang Feng , Qingkai Shi , Jia Liu , Zhenyu Chen

We reduce the computational cost of Neural AutoML with transfer learning. AutoML relieves human effort by automating the design of ML algorithms. Neural AutoML has become popular for the design of deep learning architectures, however, this…

Machine Learning · Computer Science 2019-01-29 Catherine Wong , Neil Houlsby , Yifeng Lu , Andrea Gesmundo

Neural networks are the backbone of modern artificial intelligence, but designing, evaluating, and comparing them remains labor-intensive. While numerous datasets exist for training, there are few standardized collections of the models…

While state-of-the-art language models (LMs) surpass the vast majority of humans in certain domains, their reasoning remains largely opaque, undermining trust in their output. Furthermore, while autoregressive LMs can output explicit…